5-hydroxy-7-[(1S,2S)-2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]-1-phenylpropoxy]-2-phenyl-2,3-dihydrochromen-4-one

C29H28O7 — CID 134833831

IUPAC5-hydroxy-7-[(1S,2S)-2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]-1-phenylpropoxy]-2-phenyl-2,3-dihydrochromen-4-one
SMILESC[C@H]([C@H](Oc1cc(O)c2c(c1)OC(c1ccccc1)CC2=O)c1ccccc1)[C@H]1C[C@@H](O)CC(=O)O1
InChIInChI=1S/C29H28O7/c1-17(24-12-20(30)13-27(33)36-24)29(19-10-6-3-7-11-19)34-21-14-22(31)28-23(32)16-25(35-26(28)15-21)18-8-4-2-5-9-18/h2-11,14-15,17,20,24-25,29-31H,12-13,16H2,1H3/t17-,20+,24+,25?,29-/m0/s1
InChIKeyOOBNIQFZOHNUQI-GQFXMUNISA-N
MW488.54 g/mol
LogP4.92
Rot. Bonds6

About 5-hydroxy-7-[(1S,2S)-2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]-1-phenylpropoxy]-2-phenyl-2,3-dihydrochromen-4-one

5-hydroxy-7-[(1S,2S)-2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]-1-phenylpropoxy]-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 134833831) has the molecular formula C29H28O7 and a molecular weight of 488.54 g/mol. Its IUPAC name is 5-hydroxy-7-[(1S,2S)-2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]-1-phenylpropoxy]-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name5-hydroxy-7-[(1S,2S)-2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]-1-phenylpropoxy]-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID134833831
Molecular FormulaC29H28O7
Molecular Weight488.54 g/mol
Exact Mass488.18
IUPAC Name5-hydroxy-7-[(1S,2S)-2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]-1-phenylpropoxy]-2-phenyl-2,3-dihydrochromen-4-one
SMILESC[C@H]([C@H](Oc1cc(O)c2c(c1)OC(c1ccccc1)CC2=O)c1ccccc1)[C@H]1C[C@@H](O)CC(=O)O1
InChIInChI=1S/C29H28O7/c1-17(24-12-20(30)13-27(33)36-24)29(19-10-6-3-7-11-19)34-21-14-22(31)28-23(32)16-25(35-26(28)15-21)18-8-4-2-5-9-18/h2-11,14-15,17,20,24-25,29-31H,12-13,16H2,1H3/t17-,20+,24+,25?,29-/m0/s1
InChIKeyOOBNIQFZOHNUQI-GQFXMUNISA-N
XLogP4.92
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-hydroxy-7-[(1S,2S)-2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]-1-phenylpropoxy]-2-phenyl-2,3-dihydrochromen-4-one with MolForge

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Related Compounds

(2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane
CID 143810700
5-hydroxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
CID 91538397
5-hydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2,3-dihydrochromen-4-one
CID 54587409
5-hydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 122581168
7-amino-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 138485078
[4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] benzoate
CID 169224026
(2S)-7-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 162907921
5-hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3-dihydrochromen-4-one
CID 14353939
5-hydroxy-7-methoxy-2-[4-(3-methylbut-2-enoxy)phenyl]-2,3-dihydrochromen-4-one
CID 42608070
7-ethyl-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 143737118
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 932
(2S)-8-[(dimethylamino)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 3075480

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-[(1S,2S)-2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]-1-phenylpropoxy]-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of 5-hydroxy-7-[(1S,2S)-2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]-1-phenylpropoxy]-2-phenyl-2,3-dihydrochromen-4-one (CID 134833831) is 5-hydroxy-7-[(1S,2S)-2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]-1-phenylpropoxy]-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 5-hydroxy-7-[(1S,2S)-2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]-1-phenylpropoxy]-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 5-hydroxy-7-[(1S,2S)-2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]-1-phenylpropoxy]-2-phenyl-2,3-dihydrochromen-4-one is C[C@H]([C@H](Oc1cc(O)c2c(c1)OC(c1ccccc1)CC2=O)c1ccccc1)[C@H]1C[C@@H](O)CC(=O)O1.
What is the InChIKey of 5-hydroxy-7-[(1S,2S)-2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]-1-phenylpropoxy]-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is OOBNIQFZOHNUQI-GQFXMUNISA-N. The full InChI is InChI=1S/C29H28O7/c1-17(24-12-20(30)13-27(33)36-24)29(19-10-6-3-7-11-19)34-21-14-22(31)28-23(32)16-25(35-26(28)15-21)18-8-4-2-5-9-18/h2-11,14-15,17,20,24-25,29-31H,12-13,16H2,1H3/t17-,20+,24+,25?,29-/m0/s1.
What are the key properties of 5-hydroxy-7-[(1S,2S)-2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]-1-phenylpropoxy]-2-phenyl-2,3-dihydrochromen-4-one?
5-hydroxy-7-[(1S,2S)-2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]-1-phenylpropoxy]-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 488.54 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-[(1S,2S)-2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]-1-phenylpropoxy]-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 134833831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).